2589-72-2

Basic information

• Product Name: 4-(Hydroxyphenyl)-1-heptanone
• Synonyms: 4'-HYDROXYCAPROPHENONE;4-(hydroxyphenyl)-1-heptanone;4'-HYDROXY-N-HEXANOPHENONE;p-Hydroxyhexanophenone;N-AMYL 4-HYDROXYPHENYL KETONE;4'-HYDROXYHEXANOPHENONE;4''-HYDROXY-N-HEXANOPHENONE 99+%;Amyl 4-Hydroxyphenyl Ketone
• CAS NO: 2589-72-2
• Molecular Formula: C₁₂H₁₆O₂
• Molecular Weight: 192.26
• Mol File: 2589-72-2.mol
• Article Data: 12

Chemical Properties

• Melting Point: 63 °C
• Boiling Point: 167 °C / 1mmHg
• Flash Point: 143.766 °C
• Appearance: /
• Density: 1.037 g/cm³
• Vapor Pressure: 5.19E-05mmHg at 25°C
• Refractive Index: 1.523
• Solubility: soluble in Methanol
• PKA: 8.22±0.15(Predicted)
• CAS DataBase Reference: 4-(Hydroxyphenyl)-1-heptanone(CAS DataBase Reference)
• NIST Chemistry Reference: 4-(Hydroxyphenyl)-1-heptanone(2589-72-2)
• EPA Substance Registry System: 4-(Hydroxyphenyl)-1-heptanone(2589-72-2)

Safety Data

• Hazard Codes: Xn
• Statements: 22-43-52
• Hazardous Substances Data: 2589-72-2(Hazardous Substances Data)

Usage

General Description

4-(Hydroxyphenyl)-1-heptanone, also known as alpha,4-diphenyl-a-methyl-heptan-1-one, is a known chemical compound, although specific information regarding its uses or applications is not widely documented. It possesses the ketone and phenolic functional groups in its molecular structure, with an aromatic ring attached to a heptanone chain via a hydroxyl group. As per safety guidelines, handling of this substance should be performed with adequate precautions, considering potential risks associated with exposure to chemical substances. Always refer to safety data sheets for the appropriate use, storage, and disposal of chemical compounds.

InChI:InChI=1/C12H16O2/c1-2-3-4-5-12(14)10-6-8-11(13)9-7-10/h6-9,13H,2-5H2,1H3

Upstream product

• 7780-16-7 phenyl hexanoate 
• 769936-20-1 4-(2-pentyl-[1,3]dithian-2-yl)-phenol 
• 142-62-1 hexanoic acid 
• 628-71-7 1-Heptyne 
• 106-51-4 p-benzoquinone 
• 142-61-0 Hexanoyl chloride 
• 108-95-2 phenol 

Downstream Products

• 101720-12-1 isonicotinic acid-[1-(4-hydroxy-phenyl)-hexylidenehydrazide] 
• 121384-26-7 1-(4-hydroxyphenyl)-1-hexanol 
• 20683-49-2 1-(3,5-dibromo-4-hydroxy-phenyl)-hexan-1-one 
• 1245904-83-9 C₁₂H₁₅BrO₂ 
• 17404-39-6 4-(1-Pentylheptyl)-anisol 
• 17508-67-7 4-(1-Pentylheptyl)-phenol 
• 17404-36-3 4-(1-Pentylhexyl)-anisol 
• 17404-01-2 4-<1-Pentylhepten-(1)-yl>-anisol 
• 17403-98-4 4-(1-Pentylhex-1-enyl)-anisol 
• 6465-72-1 4-(1-Pentylhexyl)-phenol 
• 17473-44-8 2,6-Dinitro-4-(1-pentyloctyl)-phenol 
• 17508-70-2 4-(1-Pentyloctyl)-phenol 
• 17077-29-1 2,6-Dinitro-4-(1-pentylheptyl)-phenol 
• 6987-45-7 2,6-Dinitro-4-(1-pentylhexyl)-phenol 

Relevant articles and documents

Visible Light-Mediated [2 + 2] Cycloaddition Reactions of 1,4-Quinones and Terminal Alkynes

A single-step synthesis of 4-hydroxy-functionalized bi-aryl and aryl/alkyl ketones via oxidative coupling of terminal alkynes with benzoquinones is reported. Furthermore, with naphthoquinones, owing to the cross-resonance of carbonyl with the aromatic ring, alkene-alkyne cycloaddition is more favored to give four-membered carbocyclic adducts, thereby precluding the requirement of preactivated alkynes.

Synthesis, biochemical evaluation and rationalisation of a series of 3,5- dibromo derivatives of 4-hydroxyphenyl ketone-based compounds as probes of the active site of type 3 of 17β-hydroxysteroid dehydrogenase (17β-hsd3) and the role of hydrogen bonding interaction in the inhibition of 17β-HSD3

We report the synthesis, evaluation and rationalisation of the inhibitory activity of a series of 3,5-dibromo derivatives of 4-hydroxyphenyl ketone as probes of the active site of the type 3 of 17β-hydroxysteroid dehydrogenase (17β-HSD3). The results support the important role of hydrogen bonding interaction in the inhibition of 17β-HSD3.

Synthesis and biochemical evaluation of a series of trifluoromethanesulfonate derivatives of 4 hydroxyphenyl ketones - Probes of the active site of type 1 and 3 of the 17β-hydroxysteroid dehydrogenase family of enzymes

In an effort to aid the design of 'dual-inhibitors' of types 1 and 3 of the 17β-hydroxysteroid dehydrogenase (17β-HSD), we report the synthesis, biochemical evaluation and rationalisation of the inhibitory activity of trifluoromethanesulfonate derivatives of 4-hydroxyphenyl ketone-based compounds which were found to be weak inhibitors of types 1 and 3.